| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
E |
169 |
42 |
13821 |
◊ |
A |
x,y,z |
1_555 |
193 |
50 |
17812 |
1738.2 |
-20.3 |
0.199 |
32 |
4 |
0 |
0.286 |
| 2 |
2 |
|
B |
149 |
38 |
17363 |
◊ |
A |
x,y,z |
1_555 |
154 |
38 |
17812 |
1442.0 |
-15.5 |
0.056 |
12 |
6 |
0 |
0.177 |
3 |
|
D |
142 |
36 |
17362 |
◊ |
C |
x,y,z |
1_555 |
141 |
33 |
17080 |
1334.6 |
-13.0 |
0.114 |
14 |
7 |
0 |
0.177 |
| Average: |
1388.3 |
-14.3 |
0.085 |
13 |
7 |
0 |
0.177 |
| 3 |
4 |
|
B |
137 |
39 |
17363 |
◊ |
C |
x,y,z |
1_555 |
138 |
40 |
17080 |
1230.4 |
-11.3 |
0.136 |
18 |
1 |
0 |
0.189 |
| 4 |
5 |
|
E |
76 |
17 |
13821 |
◊ |
C |
x,y,z |
1_555 |
87 |
27 |
17080 |
786.5 |
-7.9 |
0.383 |
5 |
4 |
0 |
0.031 |
| 5 |
6 |
|
E |
57 |
15 |
13821 |
◊ |
D |
x,y,z |
1_555 |
87 |
24 |
17362 |
689.0 |
-5.6 |
0.413 |
4 |
5 |
0 |
0.023 |
| 6 |
7 |
|
E |
54 |
14 |
13821 |
◊ |
B |
x,y,z |
1_555 |
86 |
23 |
17363 |
651.2 |
-1.8 |
0.644 |
5 |
5 |
0 |
0.025 |
| 7 |
8 |
|
D |
67 |
18 |
17362 |
x |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
53 |
17 |
17362 |
524.7 |
-1.3 |
0.502 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
D |
56 |
14 |
17362 |
◊ |
A |
x-1,y+1,z |
1_465 |
52 |
16 |
17812 |
493.1 |
5.0 |
0.923 |
6 |
7 |
0 |
0.000 |
| 9 |
10 |
|
[GTP]D:600 |
31 |
1 |
633 |
f |
D |
x,y,z |
1_555 |
68 |
30 |
17362 |
436.4 |
-3.5 |
0.498 |
18 |
0 |
0 |
0.100 |
| 10 |
11 |
|
[GTP]A:600 |
32 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
68 |
29 |
17812 |
412.0 |
-2.9 |
0.544 |
17 |
0 |
0 |
0.103 |
12 |
|
[GTP]C:600 |
31 |
1 |
634 |
f |
C |
x,y,z |
1_555 |
66 |
29 |
17080 |
409.9 |
-3.1 |
0.576 |
17 |
0 |
0 |
0.103 |
| Average: |
411.0 |
-3.0 |
0.560 |
17 |
0 |
0 |
0.103 |
| 11 |
13 |
|
[GDP]B:600 |
27 |
1 |
566 |
f |
B |
x,y,z |
1_555 |
65 |
28 |
17363 |
399.0 |
-6.4 |
0.552 |
12 |
0 |
0 |
0.114 |
| 12 |
14 |
|
A |
28 |
10 |
17812 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
11 |
17080 |
290.9 |
-0.6 |
0.580 |
3 |
2 |
0 |
0.000 |
| 13 |
15 |
|
D |
36 |
10 |
17362 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
37 |
12 |
17363 |
274.6 |
2.3 |
0.811 |
3 |
0 |
0 |
0.000 |
| 14 |
16 |
|
E |
30 |
6 |
13821 |
◊ |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
26 |
7 |
17362 |
269.9 |
-2.0 |
0.302 |
1 |
1 |
0 |
0.000 |
| 15 |
17 |
|
A |
27 |
11 |
17812 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
13 |
17363 |
263.2 |
1.1 |
0.743 |
5 |
4 |
0 |
0.000 |
| 16 |
18 |
|
E |
18 |
6 |
13821 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
4 |
17080 |
143.5 |
0.1 |
0.682 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]D:457 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
17362 |
112.3 |
-14.4 |
0.883 |
3 |
0 |
0 |
0.137 |
| 18 |
20 |
|
[SO4]A:454 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
17812 |
112.3 |
-15.5 |
0.789 |
4 |
0 |
0 |
0.141 |
| 19 |
21 |
|
[SO4]A:453 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
17812 |
99.6 |
-14.2 |
0.698 |
2 |
0 |
0 |
0.123 |
| 20 |
22 |
|
[SO4]C:453 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
17080 |
99.4 |
-15.1 |
0.612 |
0 |
0 |
0 |
0.147 |
| 21 |
23 |
|
[SO4]A:455 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
17812 |
94.0 |
-14.2 |
0.752 |
2 |
0 |
0 |
0.123 |
| 22 |
24 |
|
E |
11 |
5 |
13821 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
17362 |
80.8 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[SO4]E:146 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
13821 |
80.4 |
-10.9 |
0.870 |
3 |
0 |
0 |
0.100 |
| 24 |
26 |
|
[SO4]B:457 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17363 |
76.6 |
-11.5 |
0.675 |
3 |
0 |
0 |
0.125 |
| 25 |
27 |
|
[SO4]B:456 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17363 |
71.8 |
-9.4 |
0.926 |
3 |
0 |
0 |
0.104 |
28 |
|
[SO4]D:456 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
17362 |
71.8 |
-9.4 |
0.904 |
2 |
0 |
0 |
0.104 |
| Average: |
71.8 |
-9.4 |
0.915 |
3 |
0 |
0 |
0.104 |
| 26 |
29 |
|
D |
18 |
6 |
17362 |
◊ |
[SO4]D:456 |
x-1/2,-y+5/2,-z+1 |
4_476 |
4 |
1 |
185 |
71.0 |
-9.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
6 |
2 |
17812 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
17080 |
65.1 |
1.5 |
0.896 |
1 |
2 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:452 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17812 |
63.7 |
-7.0 |
0.882 |
2 |
0 |
0 |
0.065 |
| 29 |
32 |
|
[SO4]C:452 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17080 |
63.6 |
-6.9 |
0.924 |
1 |
0 |
0 |
0.072 |
| 30 |
33 |
|
E |
9 |
4 |
13821 |
◊ |
A |
x-1,y+1,z |
1_465 |
6 |
3 |
17812 |
58.7 |
1.3 |
0.853 |
1 |
2 |
0 |
0.000 |
| 31 |
34 |
|
[GTP]A:600 |
9 |
1 |
635 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17363 |
55.8 |
1.1 |
0.806 |
1 |
0 |
0 |
0.000 |
35 |
|
[GTP]C:600 |
9 |
1 |
634 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17362 |
51.0 |
1.1 |
0.818 |
1 |
0 |
0 |
0.000 |
| Average: |
53.4 |
1.1 |
0.812 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
17812 |
45.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.047 |
37 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17080 |
44.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
44.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 33 |
38 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
17362 |
44.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 34 |
39 |
|
[SO4]A:455 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17363 |
42.1 |
-5.3 |
0.335 |
0 |
0 |
0 |
0.027 |
| 35 |
40 |
|
[SO4]B:457 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17080 |
41.0 |
-4.0 |
0.916 |
1 |
0 |
0 |
0.043 |
| 36 |
41 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[GTP]D:600 |
x,y,z |
1_555 |
5 |
1 |
633 |
37.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.086 |
42 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[GTP]C:600 |
x,y,z |
1_555 |
4 |
1 |
634 |
33.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.086 |
43 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[GTP]A:600 |
x,y,z |
1_555 |
5 |
1 |
635 |
32.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
34.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 37 |
44 |
|
[SO4]C:452 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17362 |
34.3 |
-3.6 |
0.915 |
1 |
0 |
0 |
0.035 |
| 38 |
45 |
|
[SO4]A:452 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17363 |
33.6 |
-3.5 |
0.924 |
1 |
0 |
0 |
0.020 |
| 39 |
46 |
|
D |
2 |
1 |
17362 |
◊ |
[SO4]A:453 |
x-1,y+1,z |
1_465 |
3 |
1 |
185 |
25.4 |
-2.4 |
0.965 |
1 |
0 |
0 |
0.000 |
| 40 |
47 |
|
D |
4 |
3 |
17362 |
◊ |
[SO4]A:454 |
x-1,y+1,z |
1_465 |
4 |
1 |
186 |
22.0 |
-2.3 |
0.889 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
D |
3 |
2 |
17362 |
x |
D |
x-1,y,z |
1_455 |
2 |
2 |
17362 |
22.0 |
1.0 |
0.904 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17362 |
12.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
50 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17363 |
11.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
11.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 43 |
51 |
|
[SO4]B:456 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17080 |
9.6 |
-1.3 |
0.602 |
0 |
0 |
0 |
0.013 |
| 44 |
52 |
|
D |
1 |
1 |
17362 |
◊ |
[SO4]D:457 |
x-1/2,-y+5/2,-z+1 |
4_476 |
1 |
1 |
185 |
6.2 |
-0.9 |
0.455 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[SO4]E:146 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17080 |
0.3 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
|